ethyl 2-[[(E)-2-cyano-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H22N4O3S/c1-2-34-27(33)23-13-14-35-26(23)29-25(32)21(16-28)15-22-18-31(17-19-9-5-3-6-10-19)30-24(22)20-11-7-4-8-12-20/h3-15,18H,2,17H2,1H3,(H,29,32)/b21-15+